1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium

C34H62V — CID 162022840

IUPAC1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium
SMILESCC1C(C)C(C)C2(C)C(C)(C1C)C(C)C(C)C1(C)C3(C)C(C)C(C)C(C)C3(C)C(C)C(C)C21C.[V]
InChIInChI=1S/C34H62.V/c1-18-19(2)23(6)31(14)29(12,21(18)4)25(8)27(10)34(17)32(15)24(7)20(3)22(5)30(32,13)26(9)28(11)33(31,34)16;/h18-28H,1-17H3;
InChIKeyYUYXWVARBWFFHM-UHFFFAOYSA-N
MW521.81 g/mol
LogP10.07
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium

1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium (PubChem CID 162022840) has the molecular formula C34H62V and a molecular weight of 521.81 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium
PubChem CID162022840
Molecular FormulaC34H62V
Molecular Weight521.81 g/mol
Exact Mass521.43
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium
SMILESCC1C(C)C(C)C2(C)C(C)(C1C)C(C)C(C)C1(C)C3(C)C(C)C(C)C(C)C3(C)C(C)C(C)C21C.[V]
InChIInChI=1S/C34H62.V/c1-18-19(2)23(6)31(14)29(12,21(18)4)25(8)27(10)34(17)32(15)24(7)20(3)22(5)30(32,13)26(9)28(11)33(31,34)16;/h18-28H,1-17H3;
InChIKeyYUYXWVARBWFFHM-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.81
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium (CID 162022840) is 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium is CC1C(C)C(C)C2(C)C(C)(C1C)C(C)C(C)C1(C)C3(C)C(C)C(C)C(C)C3(C)C(C)C(C)C21C.[V].
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium?
The InChIKey is YUYXWVARBWFFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62.V/c1-18-19(2)23(6)31(14)29(12,21(18)4)25(8)27(10)34(17)32(15)24(7)20(3)22(5)30(32,13)26(9)28(11)33(31,34)16;/h18-28H,1-17H3;.
What are the key properties of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium?
1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium has a molecular weight of 521.81 g/mol, XLogP of 10.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium is sourced from PubChem (CID 162022840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).